Trimethyl(methylsulfanyl)silane
C[Si](C)(C)SC
InChI=1S/C4H12SSi/c1-5-6(2,3)4/h1-4H3
JDYCDPFQWXHUDL-UHFFFAOYSA-N
CSID:69920, http://www.chemspider.com/Chemical-Structure.69920.html (accessed 16:41, Apr 16, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 92.36 (Adapted Stein & Brown method) Melting Pt (deg C): -77.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 51.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1058 log Kow used: 2.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36.315 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.29E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.764E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.31 (KowWin est) Log Kaw used: -1.029 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.339 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6903 Biowin2 (Non-Linear Model) : 0.7859 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9334 (weeks ) Biowin4 (Primary Survey Model) : 3.6742 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3559 Biowin6 (MITI Non-Linear Model): 0.2954 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5178 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.63E+003 Pa (49.7 mm Hg) Log Koa (Koawin est ): 3.339 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.53E-010 Octanol/air (Koa) model: 5.36E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.64E-008 Mackay model : 3.62E-008 Octanol/air (Koa) model: 4.29E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.5096 E-12 cm3/molecule-sec Half-Life = 7.085 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 85.024 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.63E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 96.63 Log Koc: 1.985 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.082 (BCF = 12.07) log Kow used: 2.31 (estimated) Volatilization from Water: Henry LC: 0.00229 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.4 hours Half-Life from Model Lake : 107.2 hours (4.468 days) Removal In Wastewater Treatment: Total removal: 48.94 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.68 percent Total to Air: 47.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 28.6 170 1000 Water 35.8 360 1000 Soil 35.5 720 1000 Sediment 0.187 3.24e+003 0 Persistence Time: 185 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 92.36 (Adapted Stein & Brown method) Melting Pt (deg C): -77.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 51.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1058 log Kow used: 2.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36.315 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.29E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.764E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.31 (KowWin est) Log Kaw used: -1.029 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.339 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6903 Biowin2 (Non-Linear Model) : 0.7859 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9334 (weeks ) Biowin4 (Primary Survey Model) : 3.6742 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3559 Biowin6 (MITI Non-Linear Model): 0.2954 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5178 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.63E+003 Pa (49.7 mm Hg) Log Koa (Koawin est ): 3.339 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.53E-010 Octanol/air (Koa) model: 5.36E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.64E-008 Mackay model : 3.62E-008 Octanol/air (Koa) model: 4.29E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.5096 E-12 cm3/molecule-sec Half-Life = 7.085 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 85.024 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.63E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 96.63 Log Koc: 1.985 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.082 (BCF = 12.07) log Kow used: 2.31 (estimated) Volatilization from Water: Henry LC: 0.00229 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.4 hours Half-Life from Model Lake : 107.2 hours (4.468 days) Removal In Wastewater Treatment: Total removal: 48.94 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.68 percent Total to Air: 47.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 28.6 170 1000 Water 35.8 360 1000 Soil 35.5 720 1000 Sediment 0.187 3.24e+003 0 Persistence Time: 185 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 92.36 (Adapted Stein & Brown method) Melting Pt (deg C): -77.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 51.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1058 log Kow used: 2.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36.315 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.29E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.764E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.31 (KowWin est) Log Kaw used: -1.029 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.339 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6903 Biowin2 (Non-Linear Model) : 0.7859 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9334 (weeks ) Biowin4 (Primary Survey Model) : 3.6742 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3559 Biowin6 (MITI Non-Linear Model): 0.2954 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5178 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.63E+003 Pa (49.7 mm Hg) Log Koa (Koawin est ): 3.339 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.53E-010 Octanol/air (Koa) model: 5.36E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.64E-008 Mackay model : 3.62E-008 Octanol/air (Koa) model: 4.29E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.5096 E-12 cm3/molecule-sec Half-Life = 7.085 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 85.024 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.63E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 96.63 Log Koc: 1.985 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.082 (BCF = 12.07) log Kow used: 2.31 (estimated) Volatilization from Water: Henry LC: 0.00229 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.4 hours Half-Life from Model Lake : 107.2 hours (4.468 days) Removal In Wastewater Treatment: Total removal: 48.94 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.68 percent Total to Air: 47.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 28.6 170 1000 Water 35.8 360 1000 Soil 35.5 720 1000 Sediment 0.187 3.24e+003 0 Persistence Time: 185 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 92.36 (Adapted Stein & Brown method) Melting Pt (deg C): -77.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 51.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1058 log Kow used: 2.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36.315 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.29E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.764E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.31 (KowWin est) Log Kaw used: -1.029 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.339 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6903 Biowin2 (Non-Linear Model) : 0.7859 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9334 (weeks ) Biowin4 (Primary Survey Model) : 3.6742 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3559 Biowin6 (MITI Non-Linear Model): 0.2954 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5178 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.63E+003 Pa (49.7 mm Hg) Log Koa (Koawin est ): 3.339 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.53E-010 Octanol/air (Koa) model: 5.36E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.64E-008 Mackay model : 3.62E-008 Octanol/air (Koa) model: 4.29E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.5096 E-12 cm3/molecule-sec Half-Life = 7.085 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 85.024 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.63E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 96.63 Log Koc: 1.985 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.082 (BCF = 12.07) log Kow used: 2.31 (estimated) Volatilization from Water: Henry LC: 0.00229 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.4 hours Half-Life from Model Lake : 107.2 hours (4.468 days) Removal In Wastewater Treatment: Total removal: 48.94 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.68 percent Total to Air: 47.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 28.6 170 1000 Water 35.8 360 1000 Soil 35.5 720 1000 Sediment 0.187 3.24e+003 0 Persistence Time: 185 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 92.36 (Adapted Stein & Brown method) Melting Pt (deg C): -77.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 51.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1058 log Kow used: 2.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36.315 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.29E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.764E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.31 (KowWin est) Log Kaw used: -1.029 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.339 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6903 Biowin2 (Non-Linear Model) : 0.7859 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9334 (weeks ) Biowin4 (Primary Survey Model) : 3.6742 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3559 Biowin6 (MITI Non-Linear Model): 0.2954 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5178 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.63E+003 Pa (49.7 mm Hg) Log Koa (Koawin est ): 3.339 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.53E-010 Octanol/air (Koa) model: 5.36E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.64E-008 Mackay model : 3.62E-008 Octanol/air (Koa) model: 4.29E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.5096 E-12 cm3/molecule-sec Half-Life = 7.085 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 85.024 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.63E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 96.63 Log Koc: 1.985 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.082 (BCF = 12.07) log Kow used: 2.31 (estimated) Volatilization from Water: Henry LC: 0.00229 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.4 hours Half-Life from Model Lake : 107.2 hours (4.468 days) Removal In Wastewater Treatment: Total removal: 48.94 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.68 percent Total to Air: 47.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 28.6 170 1000 Water 35.8 360 1000 Soil 35.5 720 1000 Sediment 0.187 3.24e+003 0 Persistence Time: 185 hr
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